| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:07 UTC |
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| Update Date | 2025-03-25 00:55:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213231 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H23NO8 |
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| Molecular Mass | 381.1424 |
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| SMILES | CN1C(=O)CCC1Cc1ccc(OC2C(O)OC(C(=O)O)C(O)C2O)cc1 |
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| InChI Key | ABELAAHTRLWEGC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidspyrrolidine-2-onessecondary alcoholstertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonephenol ethermonocyclic benzene moietycarbonyl groupetherlactamcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhemiacetaloxanepyrrolidinepyrrolidoneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesazacyclen-alkylpyrrolidinehydroxy acidcarboxamide groupoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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